High-pressure vibrational and optical study of Bi2Te3

Abstract

We report an experimental and theoretical lattice dynamics study of bismuth telluride (Bi2Te3) up to 23 GPa together with an experimental and theoretical study of the optical absorption and reflection up to 10 GPa. The indirect bandgap of the low-pressure rhombohedral (R-3m) phase (α-Bi2Te3) was observed to decrease with pressure at a rate of −6 meV/GPa. In regard to lattice dynamics, Raman-active modes of α-Bi2Te3 were observed up to 7.4 GPa. The pressure dependence of their frequency and width provides evidence of the presence of an electronic-topological transition around 4.0 GPa. Above 7.4 GPa a phase transition is detected to the C2/m structure. On further increasing pressure two additional phase transitions, attributed to the C2/c and disordered bcc (Im-3m) phases, have been observed near 15.5 and 21.6 GPa in good agreement with the structures recently observed by means of x-ray diffraction at high pressures in Bi2Te3. After release of pressure the sample reverts back to the original rhombohedral phase after considerable hysteresis. Raman- and IR-mode symmetries, frequencies, and pressure coefficients in the different phases are reported and discussed.